methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate

C15H18N2O4 — CID 103250198

IUPACmethyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCc2ccnc(OC)c2)o1
InChIInChI=1S/C15H18N2O4/c1-10(12-4-5-13(21-12)15(18)20-3)17-9-11-6-7-16-14(8-11)19-2/h4-8,10,17H,9H2,1-3H3
InChIKeyGYCLABPHMCJFRM-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.32
Rot. Bonds6

About methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate

methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate (PubChem CID 103250198) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
PubChem CID103250198
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCc2ccnc(OC)c2)o1
InChIInChI=1S/C15H18N2O4/c1-10(12-4-5-13(21-12)15(18)20-3)17-9-11-6-7-16-14(8-11)19-2/h4-8,10,17H,9H2,1-3H3
InChIKeyGYCLABPHMCJFRM-UHFFFAOYSA-N
XLogP2.32
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
methyl 5-[1-[(3-cyanophenyl)methylamino]ethyl]furan-2-carboxylate
CID 103240174
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
CID 114169679
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate (CID 103250198) is methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NCc2ccnc(OC)c2)o1.
What is the InChIKey of methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate?
The InChIKey is GYCLABPHMCJFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(12-4-5-13(21-12)15(18)20-3)17-9-11-6-7-16-14(8-11)19-2/h4-8,10,17H,9H2,1-3H3.
What are the key properties of methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103250198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).